Study on the Regulation of Piracetam Crystallization Behavior

Abstract

Powder X‐ray diffraction, scanning electron microscopy, and molecular simulation techniques are used to analyze the crystallization of piracetam under different solvents and different cooling rates. The crystallization of piracetam in methanol system is controlled by thermodynamics, and it is easy to form stable polymorph. The crystallization of piracetam in isopropanol system is controlled by kinetics and forms metastable polymorph. The crystallization of piracetam in the ethanol system is controlled by thermodynamics and kinetics, and the cooling rate affects the formation of the crystal polymorphs, which is easy to be mixed. Dmol3 is used to calculate the energy, electrostatic potential, and frontier orbital energy of piracetam molecules in form II and form III configurations molecules in different systems. The results show that the methanol system is easier to form stable polymorph than the ethanol system.